6-[3-(methylamino)azetidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine

C11H22N6 — CID 154014522

IUPAC6-[3-(methylamino)azetidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine
SMILESCNC1CN(C2=CC(N)(C(C)C)N=C(N)N2)C1
InChIInChI=1S/C11H22N6/c1-7(2)11(13)4-9(15-10(12)16-11)17-5-8(6-17)14-3/h4,7-8,14H,5-6,13H2,1-3H3,(H3,12,15,16)
InChIKeyCKEYXMZCBXMEIQ-UHFFFAOYSA-N
MW238.34 g/mol
LogP-1.04
Rot. Bonds3

About 6-[3-(methylamino)azetidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine

6-[3-(methylamino)azetidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine (PubChem CID 154014522) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is 6-[3-(methylamino)azetidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[3-(methylamino)azetidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine
PubChem CID154014522
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC Name6-[3-(methylamino)azetidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine
SMILESCNC1CN(C2=CC(N)(C(C)C)N=C(N)N2)C1
InChIInChI=1S/C11H22N6/c1-7(2)11(13)4-9(15-10(12)16-11)17-5-8(6-17)14-3/h4,7-8,14H,5-6,13H2,1-3H3,(H3,12,15,16)
InChIKeyCKEYXMZCBXMEIQ-UHFFFAOYSA-N
XLogP-1.04
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclopropyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 152545011
4-(cyclopropylmethyl)-6-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 143492554
4-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 143492542
4-(cyclopropylmethyl)-6-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine
CID 152629962
4-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
CID 150809584
N-methyl-1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine
CID 135136626
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 53377888
4-(1,1,1-trifluoropropan-2-yl)-1H-pyrimidine-4,6-diamine
CID 150480683
N-butan-2-yl-N-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-amine
CID 71186595
4-N-butyl-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 24745833
N-methyl-1-propan-2-ylazetidin-3-amine
CID 22952913
4-cyclopentyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623888

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methylamino)azetidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine?
The IUPAC name of 6-[3-(methylamino)azetidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine (CID 154014522) is 6-[3-(methylamino)azetidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[3-(methylamino)azetidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 6-[3-(methylamino)azetidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine is CNC1CN(C2=CC(N)(C(C)C)N=C(N)N2)C1.
What is the InChIKey of 6-[3-(methylamino)azetidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine?
The InChIKey is CKEYXMZCBXMEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6/c1-7(2)11(13)4-9(15-10(12)16-11)17-5-8(6-17)14-3/h4,7-8,14H,5-6,13H2,1-3H3,(H3,12,15,16).
What are the key properties of 6-[3-(methylamino)azetidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine?
6-[3-(methylamino)azetidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine has a molecular weight of 238.34 g/mol, XLogP of -1.04, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methylamino)azetidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154014522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).